4-[[10-[(4,8-disulfonaphthalen-1-yl)amino]-10-oxidanylidene-decanoyl]amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 4-[[10-[(4,8-disulfonaphthalen-1-yl)amino]-10-oxidanylidene-decanoyl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[[10-[(4,8-disulfo-1-naphthyl)amino]-10-oxo-decanoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[10-[(4,8-disulfo-1-naphthalenyl)amino]-1,10-dioxodecyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[[10-[(4,8-disulfonaphthalen-1-yl)amino]-10-oxodecanoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[[10-[(4,8-disulfo-1-naphthyl)amino]-10-keto-decanoyl]amino]naphthalene-1,5-disulfonic acid Formula: C30H32N2O14S4 MolecularWeight: 772.84008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCC(=O)NC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCC(=O)NC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H32N2O14S4/c33-27(31-21-15-17-23(47(35,36)37)19-9-7-11-25(29(19)21)49(41,42)43)13-5-3-1-2-4-6-14-28(34)32-22-16-18-24(48(38,39)40)20-10-8-12-26(30(20)22)50(44,45)46/h7-12,15-18H,1-6,13-14H2,(H,31,33)(H,32,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)